2-(2-ethylsulfanylphenyl)-2-fluoroethanol

C10H13FOS — CID 105425480

IUPAC2-(2-ethylsulfanylphenyl)-2-fluoroethanol
SMILESCCSc1ccccc1C(F)CO
InChIInChI=1S/C10H13FOS/c1-2-13-10-6-4-3-5-8(10)9(11)7-12/h3-6,9,12H,2,7H2,1H3
InChIKeyHMKGNMGCPRTKKR-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.80
Rot. Bonds4

About 2-(2-ethylsulfanylphenyl)-2-fluoroethanol

2-(2-ethylsulfanylphenyl)-2-fluoroethanol (PubChem CID 105425480) has the molecular formula C10H13FOS and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-(2-ethylsulfanylphenyl)-2-fluoroethanol.

Molecular Properties

Compound Name2-(2-ethylsulfanylphenyl)-2-fluoroethanol
PubChem CID105425480
Molecular FormulaC10H13FOS
Molecular Weight200.28 g/mol
Exact Mass200.07
IUPAC Name2-(2-ethylsulfanylphenyl)-2-fluoroethanol
SMILESCCSc1ccccc1C(F)CO
InChIInChI=1S/C10H13FOS/c1-2-13-10-6-4-3-5-8(10)9(11)7-12/h3-6,9,12H,2,7H2,1H3
InChIKeyHMKGNMGCPRTKKR-UHFFFAOYSA-N
XLogP2.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-ethylsulfanylphenyl)-2-fluoroethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfanylphenyl)-2-fluoroethanol?
The IUPAC name of 2-(2-ethylsulfanylphenyl)-2-fluoroethanol (CID 105425480) is 2-(2-ethylsulfanylphenyl)-2-fluoroethanol.
What is the SMILES notation for 2-(2-ethylsulfanylphenyl)-2-fluoroethanol?
The canonical SMILES for 2-(2-ethylsulfanylphenyl)-2-fluoroethanol is CCSc1ccccc1C(F)CO.
What is the InChIKey of 2-(2-ethylsulfanylphenyl)-2-fluoroethanol?
The InChIKey is HMKGNMGCPRTKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FOS/c1-2-13-10-6-4-3-5-8(10)9(11)7-12/h3-6,9,12H,2,7H2,1H3.
What are the key properties of 2-(2-ethylsulfanylphenyl)-2-fluoroethanol?
2-(2-ethylsulfanylphenyl)-2-fluoroethanol has a molecular weight of 200.28 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfanylphenyl)-2-fluoroethanol is sourced from PubChem (CID 105425480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).